7-fluoro-N-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-1-amine

C12H13FN2 — CID 65332914

IUPAC7-fluoro-N-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-1-amine
SMILESCNC1CCc2[nH]c3ccc(F)cc3c21
InChIInChI=1S/C12H13FN2/c1-14-10-4-5-11-12(10)8-6-7(13)2-3-9(8)15-11/h2-3,6,10,14-15H,4-5H2,1H3
InChIKeyMNDROIDBIMFSTJ-UHFFFAOYSA-N
MW204.25 g/mol
LogP2.51
Rot. Bonds1

About 7-fluoro-N-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-1-amine

7-fluoro-N-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-1-amine (PubChem CID 65332914) has the molecular formula C12H13FN2 and a molecular weight of 204.25 g/mol. Its IUPAC name is 7-fluoro-N-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-1-amine.

Molecular Properties

Compound Name7-fluoro-N-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-1-amine
PubChem CID65332914
Molecular FormulaC12H13FN2
Molecular Weight204.25 g/mol
Exact Mass204.11
IUPAC Name7-fluoro-N-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-1-amine
SMILESCNC1CCc2[nH]c3ccc(F)cc3c21
InChIInChI=1S/C12H13FN2/c1-14-10-4-5-11-12(10)8-6-7(13)2-3-9(8)15-11/h2-3,6,10,14-15H,4-5H2,1H3
InChIKeyMNDROIDBIMFSTJ-UHFFFAOYSA-N
XLogP2.51
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

Skatole
CID 6736
Tryptamine
CID 1150
N,N-Dimethyltryptamine
CID 6089
Gramine
CID 6890
(+-)-alpha-Methyltryptamine
CID 9287
Methyltryptamine
CID 6088
Tetrahydro-beta-carboline
CID 107838
Alpha-Ethyltryptamine
CID 8367
N,N-Diethyltryptamine
CID 6090
2-Methylindole
CID 7224
1H-Indol-3-Ylmethanamine
CID 472107
2,3-Dimethylindole
CID 7053

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-1-amine?
The IUPAC name of 7-fluoro-N-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-1-amine (CID 65332914) is 7-fluoro-N-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-1-amine.
What is the SMILES notation for 7-fluoro-N-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-1-amine?
The canonical SMILES for 7-fluoro-N-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-1-amine is CNC1CCc2[nH]c3ccc(F)cc3c21.
What is the InChIKey of 7-fluoro-N-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-1-amine?
The InChIKey is MNDROIDBIMFSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2/c1-14-10-4-5-11-12(10)8-6-7(13)2-3-9(8)15-11/h2-3,6,10,14-15H,4-5H2,1H3.
What are the key properties of 7-fluoro-N-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-1-amine?
7-fluoro-N-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-1-amine has a molecular weight of 204.25 g/mol, XLogP of 2.51, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-1-amine is sourced from PubChem (CID 65332914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).